EVODEX.1-P4567

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([O:18][H:35])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E193 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29].[#8:18](-[H:35])-[H]>>[#6:5]-[#6@:6](-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])(-[#8:18]-[H:35])-[H:21]

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N102 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1.[H]-[#8:18]-[H:35]>>[H]-[#8:7]-[#6@:8]-[#6@@:6](-[#6:5])(-[#8:18]-[H:35])-[H:21]

EVODEX.1-Em126 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm160 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

Source Full Reactions

EVODEX.1-R5402

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([O:18][H:35])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]